Re: [PyMOL] Help - how mutation affects protein structure

2022-04-12 Thread Marco Sette
Dear Susanna, in addition to MD calculations I suggest you to perform a check on your mutated protein. Circular dichroism is a simple technique that allows to monitor the global fold of your protein. Mutating a residue may affect the folding and this seems an underestimated problem in the li

Re: [PyMOL] Help - how mutation affects protein structure

2022-04-12 Thread Sorin Draga
Hi Susanna, As you can see, pymol allows you to mutate residues. However, in order to assess their influence, you should most likely run MD simulations on both the wild type protein and mutant(s) and compare. Kind regards, Sorin On Tue, Apr 12, 2022, 5:35 PM susanna pagni wrote: > Hello, > >

[PyMOL] Help - how mutation affects protein structure

2022-04-12 Thread susanna pagni
Hello, I am quite new to PyMOL. I would like to assess how an amino acid change might affect the protein structure. I used the Wizard Mutagenesis to change the amino acid of interest but don’t know how I can see how the protein structure is affected by the mutation. Can you please help me with